2,5,6-trimethyl-3-propan-2-ylindazole

C13H18N2 — CID 165088488

IUPAC2,5,6-trimethyl-3-propan-2-ylindazole
SMILESCc1cc2nn(C)c(C(C)C)c2cc1C
InChIInChI=1S/C13H18N2/c1-8(2)13-11-6-9(3)10(4)7-12(11)14-15(13)5/h6-8H,1-5H3
InChIKeyAYAKUZLHHCUHHL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.31
Rot. Bonds1

About 2,5,6-trimethyl-3-propan-2-ylindazole

2,5,6-trimethyl-3-propan-2-ylindazole (PubChem CID 165088488) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name2,5,6-trimethyl-3-propan-2-ylindazole
PubChem CID165088488
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,5,6-trimethyl-3-propan-2-ylindazole
SMILESCc1cc2nn(C)c(C(C)C)c2cc1C
InChIInChI=1S/C13H18N2/c1-8(2)13-11-6-9(3)10(4)7-12(11)14-15(13)5/h6-8H,1-5H3
InChIKeyAYAKUZLHHCUHHL-UHFFFAOYSA-N
XLogP3.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-propan-2-ylindazole?
The IUPAC name of 2,5,6-trimethyl-3-propan-2-ylindazole (CID 165088488) is 2,5,6-trimethyl-3-propan-2-ylindazole.
What is the SMILES notation for 2,5,6-trimethyl-3-propan-2-ylindazole?
The canonical SMILES for 2,5,6-trimethyl-3-propan-2-ylindazole is Cc1cc2nn(C)c(C(C)C)c2cc1C.
What is the InChIKey of 2,5,6-trimethyl-3-propan-2-ylindazole?
The InChIKey is AYAKUZLHHCUHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)13-11-6-9(3)10(4)7-12(11)14-15(13)5/h6-8H,1-5H3.
What are the key properties of 2,5,6-trimethyl-3-propan-2-ylindazole?
2,5,6-trimethyl-3-propan-2-ylindazole has a molecular weight of 202.30 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-propan-2-ylindazole is sourced from PubChem (CID 165088488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).